Roberto Todeschini

Best Publications

• Handbook of Molecular Descriptors

  Roberto Todeschini;Viviana Consonni

  4108
  Citations

• QSAR Modeling: Where have you been? Where are you going to?

  Artem Cherkasov;Eugene N. Muratov;Eugene N. Muratov;Denis Fourches;Alexandre Varnek

  2143
  Citations

• Virtual computational chemistry laboratory - design and description

  Igor V. Tetko;Johann Gasteiger;Roberto Todeschini;Andrea Mauri

  1825
  Citations

• Molecular Descriptors for Chemoinformatics : Volume I : Alphabetical Listing / Volume II : Appendices, References

  Roberto Todeschini;Viviana Consonni

  1822
  Citations

• Molecular descriptors for chemoinformatics

  Roberto Todeschini;Viviana Consonni

  897
  Citations

• Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

  Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey

  720
  Citations

• Comments on the Definition of the Q2 Parameter for QSAR Validation

  Viviana Consonni;Davide Ballabio;Roberto Todeschini

  647
  Citations

• DRAGON SOFTWARE: AN EASY APPROACH TO MOLECULAR DESCRIPTOR CALCULATIONS

  Andrea Mauri;Viviana Consonni;Manuela Pavan;Roberto Todeschini

  612
  Citations

• Comparison of different approaches to define the applicability domain of QSAR models.

  F Sahigara;K Mansouri;D Ballabio;A Mauri

  610
  Citations

• Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors

  Viviana Consonni;Roberto Todeschini;Manuela Pavan

  576
  Citations

• Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection

  Igor V. Tetko;Iurii Sushko;Anil Kumar Pandey;Hao Zhu

  472
  Citations

• New molecular descriptors for 2D and 3D structures. Theory

  Roberto Todeschini;Marina Lasagni;Emilio Marengo

  400
  Citations

• CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

  Kamel Mansouri;Ahmed Abdelaziz;Aleksandra Rybacka;Alessandra Roncaglioni

  381
  Citations

• Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies

  Viviana Consonni;Roberto Todeschini;Manuela Pavan;Paola Gramatica

  372
  Citations

• Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.

  Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey

  294
  Citations

• Quantitative structure-activity relationship models for ready biodegradability of chemicals.

  Kamel Mansouri;Tine Ringsted;Davide Ballabio;Roberto Todeschini

  257
  Citations

• Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets.

  Roberto Todeschini;Viviana Consonni;Hua Xiang;John D. Holliday

  256
  Citations

• New Local Vertex Invariants and Molecular Descriptors Based on Functions of the Vertex Degrees

  R Todeschini;Consonni

  251
  Citations

• The K correlation index: theory development and its application in chemometrics

  R. Todeschini;V. Consonni;A. Maiocchi

  245
  Citations

• Detecting bad regression models: multicriteria fitness functions in regression analysis

  Roberto Todeschini;Viviana Consonni;Andrea Mauri;Manuela Pavan

  221
  Citations